N-(3-((difluoromethyl)sulfonyl)phenyl)-4-(4-fluorophenyl)piperazine-1-carbothioamide
TL;DR: N-(3-((difluoromethyl)sulfonyl)phenyl)-4-(4-fluorophenyl)piperazine-1-carbothioamide (CAS 690249-44-6) is a chemical compound with molecular formula C18H18F3N3O2S2 and molecular weight 429.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[3-(difluoromethylsulfonyl)phenyl]-4-(4-fluorophenyl)piperazine-1-carbothioamide
Also Known As: N-(3-((difluoromethyl)sulfonyl)phenyl)-4-(4-fluorophenyl)piperazine-1-carbothioamide, N-(3-DIFLUOROMETHANESULFONYLPHENYL)-4-(4-FLUOROPHENYL)PIPERAZINE-1-CARBOTHIOAMIDE, N-[3-(difluoromethylsulfonyl)phenyl]-4-(4-fluorophenyl)piperazine-1-carbothioamide, difluoro{[3-({[4-(4-fluorophenyl)piperazinyl]thioxomethyl}amino)phenyl]sulfony l}methane, N-{3-[(difluoromethyl)sulfonyl]phenyl}-4-(4-fluorophenyl)piperazine-1-carbothioamide
| Molecular Formula | C18H18F3N3O2S2 |
|---|---|
| Molecular Weight | 429.08 g/mol |
| LogP | 3.341 |
| Topological Polar Surface Area | 52.65 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 429.07925 |
| Heavy Atoms | 28 |
| Complexity | 944.8031 |
Chemical Identifiers
| CAS Number | 690249-44-6 |
|---|---|
| SMILES | C1CN(CCN1C2=CC=C(C=C2)F)C(=S)NC3=CC(=CC=C3)S(=O)(=O)C(F)F |
Product Overview
N-(3-((difluoromethyl)sulfonyl)phenyl)-4-(4-fluorophenyl)piperazine-1-carbothioamide (CAS 690249-44-6), with molecular formula C18H18F3N3O2S2 and molecular weight 429.08 g/mol. IUPAC: N-[3-(difluoromethylsulfonyl)phenyl]-4-(4-fluorophenyl)piperazine-1-carbothioamide.
Chemical Property Profile of N-(3-((difluoromethyl)sulfonyl)phenyl)-4-(4-fluorophenyl)piperazine-1-carbothioamide
Property Insights of N-(3-((difluoromethyl)sulfonyl)phenyl)-4-(4-fluorophenyl)piperazine-1-carbothioamide
The XLogP value of 3.341 indicates that N-(3-((difluoromethyl)sulfonyl)phenyl)-4-(4-fluorophenyl)piperazine-1-carbothioamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.65 Ų, N-(3-((difluoromethyl)sulfonyl)phenyl)-4-(4-fluorophenyl)piperazine-1-carbothioamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(3-((difluoromethyl)sulfonyl)phenyl)-4-(4-fluorophenyl)piperazine-1-carbothioamide has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N-(3-((difluoromethyl)sulfonyl)phenyl)-4-(4-fluorophenyl)piperazine-1-carbothioamide?
The CAS number of N-(3-((difluoromethyl)sulfonyl)phenyl)-4-(4-fluorophenyl)piperazine-1-carbothioamide is 690249-44-6.
What is the molecular formula of N-(3-((difluoromethyl)sulfonyl)phenyl)-4-(4-fluorophenyl)piperazine-1-carbothioamide?
The molecular formula of N-(3-((difluoromethyl)sulfonyl)phenyl)-4-(4-fluorophenyl)piperazine-1-carbothioamide is C18H18F3N3O2S2.
What is the molecular weight of N-(3-((difluoromethyl)sulfonyl)phenyl)-4-(4-fluorophenyl)piperazine-1-carbothioamide?
The molecular weight of N-(3-((difluoromethyl)sulfonyl)phenyl)-4-(4-fluorophenyl)piperazine-1-carbothioamide is 429.08 g/mol.
Where can I buy N-(3-((difluoromethyl)sulfonyl)phenyl)-4-(4-fluorophenyl)piperazine-1-carbothioamide?
You can request a quote for N-(3-((difluoromethyl)sulfonyl)phenyl)-4-(4-fluorophenyl)piperazine-1-carbothioamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(3-((difluoromethyl)sulfonyl)phenyl)-4-(4-fluorophenyl)piperazine-1-carbothioamide?
Yes, KEHONG BIO provides custom synthesis services for N-(3-((difluoromethyl)sulfonyl)phenyl)-4-(4-fluorophenyl)piperazine-1-carbothioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.